(E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol

C30H37NO2Si — CID 134848171

IUPAC(E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/C[C@H](O)c1ccccc1
InChIInChI=1S/C30H37NO2Si/c1-34(2,3)33-30(26-17-9-5-10-18-26,27-19-11-6-12-20-27)29-22-14-24-31(29)23-13-21-28(32)25-15-7-4-8-16-25/h4-13,15-20,23,28-29,32H,14,21-22,24H2,1-3H3/b23-13+/t28-,29-/m0/s1
InChIKeyPQECCKQWBKXPBL-CIUYQETNSA-N
MW471.72 g/mol
LogP6.88
Rot. Bonds9

About (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol

(E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol (PubChem CID 134848171) has the molecular formula C30H37NO2Si and a molecular weight of 471.72 g/mol. Its IUPAC name is (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol
PubChem CID134848171
Molecular FormulaC30H37NO2Si
Molecular Weight471.72 g/mol
Exact Mass471.26
IUPAC Name(E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol
SMILESC[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/C[C@H](O)c1ccccc1
InChIInChI=1S/C30H37NO2Si/c1-34(2,3)33-30(26-17-9-5-10-18-26,27-19-11-6-12-20-27)29-22-14-24-31(29)23-13-21-28(32)25-15-7-4-8-16-25/h4-13,15-20,23,28-29,32H,14,21-22,24H2,1-3H3/b23-13+/t28-,29-/m0/s1
InChIKeyPQECCKQWBKXPBL-CIUYQETNSA-N
XLogP6.88
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.72
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E,1S)-3-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylprop-2-enyl]-2-oxo-N,2-diphenylacetamide
CID 134839898
[diphenyl-[(2S)-1-[(E)-prop-1-enyl]pyrrolidin-2-yl]methoxy]-methyl-diphenylsilane
CID 132597649
(2E,6E)-1-(4-chlorophenyl)-8-[(2R)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-6-methylocta-2,6-dien-1-one
CID 102104107
ethyl (E)-3-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-enoate
CID 139095804
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
trimethyl-[[(2S)-1-[(4S,5R,6R)-5-methyl-2-oxido-4-phenyl-5,6-dihydro-4H-oxazin-2-ium-6-yl]pyrrolidin-2-yl]-diphenylmethoxy]silane
CID 102580762
(Z,1S,6R)-1-phenylhept-3-ene-1,6-diol
CID 135057186
2-[1-(3-methoxypropyl)pyrrolidin-2-yl]-1-phenylethanol
CID 111490186
(E,1R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylhex-3-en-1-ol
CID 66573505
2-[methyl-(1-methylpiperidin-3-yl)amino]-1-phenylethanol
CID 62547685
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
(Z)-4-ethoxy-1-phenylbut-3-en-1-ol
CID 44889759

Frequently Asked Questions

What is the IUPAC name of (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol?
The IUPAC name of (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol (CID 134848171) is (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol?
The canonical SMILES for (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol is C[Si](C)(C)OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1/C=C/C[C@H](O)c1ccccc1.
What is the InChIKey of (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol?
The InChIKey is PQECCKQWBKXPBL-CIUYQETNSA-N. The full InChI is InChI=1S/C30H37NO2Si/c1-34(2,3)33-30(26-17-9-5-10-18-26,27-19-11-6-12-20-27)29-22-14-24-31(29)23-13-21-28(32)25-15-7-4-8-16-25/h4-13,15-20,23,28-29,32H,14,21-22,24H2,1-3H3/b23-13+/t28-,29-/m0/s1.
What are the key properties of (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol?
(E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol has a molecular weight of 471.72 g/mol, XLogP of 6.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S)-4-[(2S)-2-[diphenyl(trimethylsilyloxy)methyl]pyrrolidin-1-yl]-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 134848171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).